Manganese in PDB 4k21: Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman

The structure of Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman, PDB code: 4k21 was solved by G.A.Bezerra, T.R.Moura, R.Viertlmayr, P.Delatorre, B.A.M.Rocha, C.S.Nagano, K.Gruber, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.40 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.970, 66.590, 108.770, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 19.2

The structure of Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Manganese atom in the Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman (pdb code 4k21). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman, PDB code: 4k21:

Manganese binding site 1 out of 1 in the Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:18.9 occ:1.00 OD2 A:ASP10 2.1 14.8 1.0 OE2 A:GLU8 2.1 15.0 1.0 O A:HOH405 2.1 19.5 1.0 OD1 A:ASP19 2.2 17.6 1.0 NE2 A:HIS24 2.3 17.1 1.0 O A:HOH402 2.3 17.0 1.0 CG A:ASP10 3.1 16.0 1.0 CG A:ASP19 3.1 17.2 1.0 CD A:GLU8 3.2 15.9 1.0 CE1 A:HIS24 3.2 16.3 1.0 CD2 A:HIS24 3.3 16.4 1.0 OE1 A:GLU8 3.5 16.4 1.0 CB A:ASP10 3.5 15.2 1.0 OD2 A:ASP19 3.6 17.6 1.0 O A:HOH403 4.1 19.7 1.0 OG A:SER34 4.1 15.7 1.0 CA A:CA302 4.2 18.2 1.0 OD1 A:ASP10 4.2 16.8 1.0 ND1 A:HIS24 4.3 17.3 1.0 O A:HOH487 4.3 36.7 1.0 CB A:ASP19 4.3 18.7 1.0 CG A:HIS24 4.4 16.5 1.0 CG A:GLU8 4.5 15.3 1.0 CA A:ASP19 4.6 19.9 1.0 O A:VAL32 4.7 18.4 1.0

G.A.Bezerra, R.Viertlmayr, T.R.Moura, P.Delatorre, B.A.Rocha, K.S.Do Nascimento, J.G.Figueiredo, I.G.Bezerra, C.S.Teixeira, R.C.Simoes, C.S.Nagano, N.M.De Alencar, K.Gruber, B.S.Cavada. Structural Studies of An Anti-Inflammatory Lectin From Canavalia Boliviana Seeds in Complex with Dimannosides. Plos One V. 9 97015 2014.
ISSN: ESSN 1932-6203
PubMed: 24865454
DOI: 10.1371/JOURNAL.PONE.0097015